Molecule

ID:100513

General Information
Structure
MolImage
Molecular Formula
C₁₅HF₂₅N₂O
Molecular Mass
700.14132
Exact Mass
699.96896816
Charge
0
InChI
InChI=1S/C15HF25N2O/c16-5(17,8(22,23)11(28,29)14(35,36)37)2-1-3(6(18,19)9(24,25)12(30,31)15(38,39)40)42(41-2)4(43)7(20,21)10(26,27)13(32,33)34/h1H
InChIKey
BRICQRFYYRWLPP-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)n1nc(cc1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1c(cc(n1C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.396257
LogD (pH = 7.4)
8.396257
Log P
8.396257
Molar Refractivity
78.8228
Polarizability
29.794249
Polar Surface Area
34.89
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation